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	hartrees
Energy at 0K	-530.483609
Energy at 298.15K
HF Energy	-530.483609
Nuclear repulsion energy	155.959061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3569	40.67
2	A	3467	3433	36.63
3	A	3107	3076	0.33
4	A	3026	2996	3.76
5	A	2960	2931	10.87
6	A	1561	1546	226.49
7	A	1417	1403	40.10
8	A	1405	1391	17.13
9	A	1378	1365	55.28
10	A	1329	1316	101.35
11	A	1292	1280	17.81
12	A	993	983	7.54
13	A	981	971	4.04
14	A	957	948	3.15
15	A	745	738	5.82
16	A	615	609	8.65
17	A	499	494	4.82
18	A	410	406	1.33
19	A	368	364	2.52
20	A	347	343	149.51
21	A	46	46	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.056	-0.007
S2	-1.355	-0.113	0.000
C3	1.219	-1.096	-0.001
N4	0.873	1.255	-0.001
H5	0.675	-2.027	-0.182
H6	2.005	-0.976	-0.764
H7	1.719	-1.168	0.979
H8	1.884	1.353	-0.002
H9	0.285	2.084	0.018

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6453	1.4854	1.3367	2.1268	2.1464	2.1297	2.0617	2.0285
S2	1.6453		2.7557	2.6140	2.7959	3.5519	3.3942	3.5553	2.7418
C3	1.4854	2.7557		2.3763	1.0934	1.1018	1.1019	2.5379	3.3147
N4	1.3367	2.6140	2.3763		3.2925	2.6151	2.7472	1.0160	1.0166
H5	2.1268	2.7959	1.0934	3.2925		1.7922	1.7816	3.5944	4.1344
H6	2.1464	3.5519	1.1018	2.6151	1.7922		1.7767	2.4535	3.5962
H7	2.1297	3.3942	1.1019	2.7472	1.7816	1.7767		2.7106	3.6820
H8	2.0617	3.5553	2.5379	1.0160	3.5944	2.4535	2.7106		1.7580
H9	2.0285	2.7418	3.3147	1.0166	4.1344	3.5962	3.6820	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.195	C1	C3	H6	111.252
C1	C3	H7	109.915	C1	N4	H8	121.809
C1	N4	H9	118.446	S2	C1	C3	123.258
S2	C1	N4	122.129	C3	C1	N4	114.607
H5	C3	H6	109.455	H5	C3	H7	108.494
H6	C3	H7	107.449	H8	N4	H9	119.738

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: SVWN/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.026
2	S	-0.283
3	C	-0.317
4	N	-0.137
5	H	0.139
6	H	0.115
7	H	0.140
8	H	0.156
9	H	0.161

	x	y	z	Total
	4.259	1.437	0.061	4.495
CHELPG
AIM
ESP

	x	y	z
x	10.765	0.544	-0.006
y	0.544	7.924	0.003
z	-0.006	0.003	5.040

<r²>	107.182
(<r²>)^1/2	10.353

All results from a given calculation for CH3CSNH2 (Ethanethioamide)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)